N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide

C13H24N4O2S — CID 118581487

IUPACN-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide
SMILESCN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O2S/c1-13(2,3)11-9-12(15-10-14-11)16(4)7-8-17(5)20(6,18)19/h9-10H,7-8H2,1-6H3
InChIKeyZENOGVABARRAMK-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.10
Rot. Bonds5

About N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide

N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide (PubChem CID 118581487) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide
PubChem CID118581487
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide
SMILESCN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ncn1
InChIInChI=1S/C13H24N4O2S/c1-13(2,3)11-9-12(15-10-14-11)16(4)7-8-17(5)20(6,18)19/h9-10H,7-8H2,1-6H3
InChIKeyZENOGVABARRAMK-UHFFFAOYSA-N
XLogP1.10
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide (CID 118581487) is N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide is CN(CCN(C)S(C)(=O)=O)c1cc(C(C)(C)C)ncn1.
What is the InChIKey of N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide?
The InChIKey is ZENOGVABARRAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-13(2,3)11-9-12(15-10-14-11)16(4)7-8-17(5)20(6,18)19/h9-10H,7-8H2,1-6H3.
What are the key properties of N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide?
N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide has a molecular weight of 300.43 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 118581487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).